Structures of Interhalogen Compounds and Polyhalides

127I Mössbauer studies of oxygen bonded iodine complexes. 2. Aryliodine(III)carboxylates; the crystal and molecular structure of bis(trifluoroacetato)pentafluorophenyliodine(III), (C6F5)I(O2CCF3)2

“…Principal bond lengths and angles about iodine are as (2) in the 1-0 bonds is much less pronounced and is probably a consequence of the crystal packing (vide infra). This T-shaped geometry is predicted from VSEPR (2 1) theory and has been observed for a number of tellurium(I1) (22), chlorine(II1) (23), iodine(II1) (1 -5, 24), and xenon(1V) (25) complexes. The trifluoroacetate groups are oriented such that they are almost perpendicular to each other with a dihedral angle between the least-squares mean planes defined by the C-C02 atoms of 84.3(4)" and 82.5(4)" for molecules 1 and 2 respectively.…”

N-Methylbenzothiazole-2(3H)-selone, C8H7NSSe

“…Moreover, we have demonstrated (Rudd, Lindeman & Husebye, 1997) that the same hypervalent three-center four-electron bonding scheme (Wiebenga, Havinga & Boswijk, 1961;Foss, 1962;Alcock, 1972) can be applied to isoelectronic hypervalent complexes of two-coordinate 1 1 :…”

Homopolyatomic and heteropolyatomic halogen cations

“…The occurrence of a semi-ionic, three-center-four-electron bond in Br5+ but not in Br3+ is readily understood from a simple consideration of the number of valence electrons in each cation. In Br3+, all three Br atoms have an electron octet, whereas in Br5+ the central Br atom is "hypervalent," possessing 10 valence electrons, which favors the formation of semi-ionic, three-center-four-electron bonds (Figure 2) [14,46]. The geometry of Br5+ was calculated by use of the local density functional (LDF) method.…”